<trans-title xml:lang="en">Pressure-driven fluid flow characteristics in black phosphorus nanochannels</trans-title>

Zhong-Qiang Zhang; Han-Lun Liu; Jin-Wei Fan; Jian-Ning Ding; Guang-Gui Cheng

doi:10.7498/aps.68.20190531

Acta Physica Sinica, Volume. 68, Issue 17, 170202-1(2019)

Pressure-driven fluid flow characteristics in black phosphorus nanochannels

Zhong-Qiang Zhang^1,2,3、*, Han-Lun Liu¹, Jin-Wei Fan¹, Jian-Ning Ding^1,2, and Guang-Gui Cheng¹

Author Affiliations

¹Institute of Intelligent Flexible Mechanoelectronic, Jiangsu University, Zhenjiang 212013, China

²Jiangsu Collaboratory Innovation Center of Photovoltaic Science and Engineering, Changzhou University, Changzhou 213164, China

³State Key Laboratory of Structural Analysis for Industrial Equipment, Dalian University of Technology, Dalian 116024, China

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Figures & Tables(12)

Fig. 1. (a) Monolayer black phosphorus models, chiral angle θis the intersection angle between water flow direction adjacent the top plate and the ripple direction of BP monolayer; (b) poiseuille flow model of water molecules in black phosphorus nanochannels. (a)单层黑磷模型图, 其中手性角度θ指黑磷褶皱方向与水分子流动方向夹角; (b)黑磷纳米通道内水分子流动的Poiseuille流模型图

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Fig. 2. The velocity distribution of water molecules when the chiral angle of the model is 0°.模型手性角度为0°时水分子的速度分布

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Fig. 3. Number density distribution of water molecules along the channel width in the black phosphorus nanochannels.黑磷纳米通道内水分子沿通道宽度方向的数密度分布图

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Fig. 4. Velocity distribution diagram and potential energy cloud diagram: (a) The velocity distribution of water molecules when the chiral angle of the model is 37.4°; (b) the velocity distribution of water molecules when the chiral angle of the model is 66.6°; (c) the velocity distribution of water molecules when the chiral angle of the model is 90°; (d) potential energy cloud diagram when the chiral angle of the model is 90°.速度分布图及势能云图　(a) 模型手性角度为37.4°时水分子的速度分布; (b) 模型手性角度为66.6°时水分子的速度分布; (c) 模型手性角度为90°时水分子的速度分布; (d)模型手性角度为90°时的势能分布云图

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Fig. 5. Variance distribution of water molecular viscosity coefficient of a simulation system with different chirality under different acceleration conditions.不同手性的模拟系统在不同加速度条件下的水分子黏度系数方差分布图

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Fig. 6. Velocity distribution of water molecules along the width of different nanochannel widths.不同纳米通道宽度内水分子沿通道宽度方向速度分布图

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Fig. 7. Velocity distributions corresponding to different layer models.不同层数模型对应的速度分布图

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Table 1. Parameter values of L-J potential function
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Table 1. Parameter values of L-J potential function
Atoms ε/kcal·mol^–1 σ/Å
P-P 0.36760 3.43800
O-O 0.16275 3.16435
P-O 0.24460 3.30120

Table 2.
Statistical table of water molecule boundary slip velocity V_S corresponding to different accelerations in different chiral conditions.
不同手性情况中, 不同加速度对应的水分子边界滑移速度V_S统计表
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Table 2.
Statistical table of water molecule boundary slip velocity V_S corresponding to different accelerations in different chiral conditions.
不同手性情况中, 不同加速度对应的水分子边界滑移速度V_S统计表
g_x/m·s^–1 Angle/(°)
0 37.4 66.6 90
1.0 × 10¹² 6.3305 5.7990 4.7818 3.5462
1.5 × 10¹² 8.9847 8.7979 6.8867 5.8156
2.0 × 10¹² 13.4912 12.9694 10.6995 7.5839

Table 3.
Distribution of water molecular viscosity coefficient μ of simulation systems with different chirality under different acceleration conditions.
不同手性的模拟系统在不同加速度条件下的水分子黏度系数μ分布表
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Table 3.
Distribution of water molecular viscosity coefficient μ of simulation systems with different chirality under different acceleration conditions.
不同手性的模拟系统在不同加速度条件下的水分子黏度系数μ分布表
g_x/m·s^–1 Angle/(°)
0 37.4 66.6 90
1.0 × 10¹² 0.1182 0.1209 0.1116 0.1212
1.5 × 10¹² 0.1193 0.1173 0.1123 0.1168
2.0 × 10¹² 0.1171 0.1203 0.1201 0.1183

Table 4.
Boundary slip of water molecules at different nanochannels widths.
不同纳米通道宽度内水分子的边界滑移表
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Table 4.
Boundary slip of water molecules at different nanochannels widths.
不同纳米通道宽度内水分子的边界滑移表
H/nm 3 4 5 6
V_S/m·s^–1 4.0267 4.3547 5.8005 7.5839

Table 5.
Comparison of the interfacial parameters for the models with different BP layers.
不同黑磷层数纳米通道模型中流固界面参数对比

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Table 5.
Comparison of the interfacial parameters for the models with different BP layers.
不同黑磷层数纳米通道模型中流固界面参数对比

	V_S/m·s^–1		μ/mPa·s		E_w-BP/kcal·mol^–1·nm^–2
	Monolayer	Bilayer	Monolayer	Bilayer	Monolayer	Bilayer
0°	13.4912	12.9256	0.1171	0.1216	–13.7663	–13.9138
37.4°	12.9694	12.4460	0.1203	0.1204	–13.7797	–13.9285

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Zhong-Qiang Zhang, Han-Lun Liu, Jin-Wei Fan, Jian-Ning Ding, Guang-Gui Cheng. Pressure-driven fluid flow characteristics in black phosphorus nanochannels[J]. Acta Physica Sinica, 2019, 68(17): 170202-1

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Paper Information

Received: Apr. 11, 2019

Accepted: --

Published Online: Sep. 16, 2020

The Author Email:

DOI:10.7498/aps.68.20190531

Topics

Nuclear physics

Particles and fields

Particle and nuclear astrophysics and cosmology

Table 1. Parameter values of L-J potential function

Table 1. Parameter values of L-J potential function

Table 2. Statistical table of water molecule boundary slip velocity VS corresponding to different accelerations in different chiral conditions. 不同手性情况中, 不同加速度对应的水分子边界滑移速度VS统计表

Table 2. Statistical table of water molecule boundary slip velocity VS corresponding to different accelerations in different chiral conditions. 不同手性情况中, 不同加速度对应的水分子边界滑移速度VS统计表

Table 3. Distribution of water molecular viscosity coefficient μ of simulation systems with different chirality under different acceleration conditions. 不同手性的模拟系统在不同加速度条件下的水分子黏度系数μ分布表

Table 3. Distribution of water molecular viscosity coefficient μ of simulation systems with different chirality under different acceleration conditions. 不同手性的模拟系统在不同加速度条件下的水分子黏度系数μ分布表

Table 4. Boundary slip of water molecules at different nanochannels widths.不同纳米通道宽度内水分子的边界滑移表

Table 4. Boundary slip of water molecules at different nanochannels widths.不同纳米通道宽度内水分子的边界滑移表

Table 5. Comparison of the interfacial parameters for the models with different BP layers.不同黑磷层数纳米通道模型中流固界面参数对比

Table 5. Comparison of the interfacial parameters for the models with different BP layers.不同黑磷层数纳米通道模型中流固界面参数对比

Table 2.
Statistical table of water molecule boundary slip velocity V_S corresponding to different accelerations in different chiral conditions.
不同手性情况中, 不同加速度对应的水分子边界滑移速度V_S统计表

Table 2.
Statistical table of water molecule boundary slip velocity V_S corresponding to different accelerations in different chiral conditions.
不同手性情况中, 不同加速度对应的水分子边界滑移速度V_S统计表

Table 3.
Distribution of water molecular viscosity coefficient μ of simulation systems with different chirality under different acceleration conditions.
不同手性的模拟系统在不同加速度条件下的水分子黏度系数μ分布表

Table 3.
Distribution of water molecular viscosity coefficient μ of simulation systems with different chirality under different acceleration conditions.
不同手性的模拟系统在不同加速度条件下的水分子黏度系数μ分布表

Table 4.
Boundary slip of water molecules at different nanochannels widths.
不同纳米通道宽度内水分子的边界滑移表

Table 4.
Boundary slip of water molecules at different nanochannels widths.
不同纳米通道宽度内水分子的边界滑移表

Table 5.
Comparison of the interfacial parameters for the models with different BP layers.
不同黑磷层数纳米通道模型中流固界面参数对比

Table 5.
Comparison of the interfacial parameters for the models with different BP layers.
不同黑磷层数纳米通道模型中流固界面参数对比